(2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide

C19H24N4O — CID 95445277

IUPAC(2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide
SMILESCCc1[nH]c2c(CNC(=O)[C@H](C)n3ccnc3)cc(C)cc2c1C
InChIInChI=1S/C19H24N4O/c1-5-17-13(3)16-9-12(2)8-15(18(16)22-17)10-21-19(24)14(4)23-7-6-20-11-23/h6-9,11,14,22H,5,10H2,1-4H3,(H,21,24)/t14-/m0/s1
InChIKeyAYNNWJRGMVNUFZ-AWEZNQCLSA-N
MW324.43 g/mol
LogP3.42
Rot. Bonds5

About (2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide

(2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide (PubChem CID 95445277) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide
PubChem CID95445277
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide
SMILESCCc1[nH]c2c(CNC(=O)[C@H](C)n3ccnc3)cc(C)cc2c1C
InChIInChI=1S/C19H24N4O/c1-5-17-13(3)16-9-12(2)8-15(18(16)22-17)10-21-19(24)14(4)23-7-6-20-11-23/h6-9,11,14,22H,5,10H2,1-4H3,(H,21,24)/t14-/m0/s1
InChIKeyAYNNWJRGMVNUFZ-AWEZNQCLSA-N
XLogP3.42
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide (CID 95445277) is (2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide is CCc1[nH]c2c(CNC(=O)[C@H](C)n3ccnc3)cc(C)cc2c1C.
What is the InChIKey of (2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide?
The InChIKey is AYNNWJRGMVNUFZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O/c1-5-17-13(3)16-9-12(2)8-15(18(16)22-17)10-21-19(24)14(4)23-7-6-20-11-23/h6-9,11,14,22H,5,10H2,1-4H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide?
(2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide has a molecular weight of 324.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 95445277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).